#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqk s GLN 2 N 0.00 4.44 -0.12 2.12 -0.21 -1.26 -5.05 119.66 119.58 1hqk s GLN 2 Ca 0.00 0.92 0.01 0.00 0.02 0.00 0.00 55.36 56.31 1hqk s GLN 2 Cb 0.00 -3.42 0.02 0.00 1.00 0.00 0.00 33.01 30.61 1hqk s GLN 2 CO 0.00 0.13 -0.15 0.42 -2.12 0.00 0.00 175.29 173.57 1hqk s ILE 3 N 0.54 1.53 -0.08 1.08 1.01 -1.26 -5.12 121.20 118.90 1hqk s ILE 3 Ca 0.37 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.39 1hqk s ILE 3 Cb -0.18 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 1hqk s ILE 3 CO 0.19 0.45 -0.13 -0.31 0.00 0.00 0.00 174.94 175.14 1hqk s TYR 4 N 1.09 2.76 0.19 3.97 1.51 -1.26 -5.12 117.35 120.49 1hqk s TYR 4 Ca -0.04 -0.30 -0.18 0.00 -1.01 0.00 0.00 57.07 55.54 1hqk s TYR 4 Cb -0.14 -1.71 0.03 0.00 -0.11 0.00 0.00 41.96 40.03 1hqk s TYR 4 CO -0.04 0.07 0.53 -1.83 -1.11 0.00 0.00 175.55 173.17 1hqk s GLU 5 N -0.38 1.35 -0.13 -0.62 -1.05 -1.26 -5.11 118.70 111.50 1hqk s GLU 5 Ca 0.04 -0.80 -0.02 0.00 -0.15 0.00 0.00 54.97 54.04 1hqk s GLU 5 Cb -0.12 0.53 -0.03 0.00 -0.44 0.00 0.00 34.13 34.07 1hqk s GLU 5 CO 0.02 -0.57 -0.05 0.20 0.95 0.00 0.00 175.26 175.81 1hqk s GLY 6 N -2.85 1.71 1.12 -3.83 0.00 -1.26 -4.41 107.32 97.80 1hqk s GLY 6 Ca 0.07 -0.84 -0.18 0.00 0.00 0.00 0.00 44.72 43.77 1hqk s GLY 6 CO -0.05 -0.25 1.19 -1.59 0.00 0.00 0.00 173.10 172.39 1hqk s LYS 7 N -0.00 -0.62 -0.00 2.90 -2.85 -1.26 -4.86 119.74 113.05 1hqk s LYS 7 Ca 0.00 -0.21 0.08 0.00 -1.00 0.00 0.00 55.97 54.84 1hqk s LYS 7 Cb -0.13 -1.68 0.23 0.00 -2.06 0.00 0.00 37.83 34.18 1hqk s LYS 7 CO 0.03 -3.29 1.19 1.28 0.10 0.00 0.00 175.35 174.66 1hqk n LEU 8 N -4.43 2.69 -4.76 2.77 4.77 -1.26 -4.08 117.00 112.70 1hqk n LEU 8 Ca 0.14 -2.01 -0.40 0.00 -0.03 0.00 0.00 56.01 53.71 1hqk n LEU 8 Cb 0.59 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 1hqk n LEU 8 CO 0.45 0.67 0.45 0.42 -1.33 0.00 0.00 177.39 178.05 1hqk s THR 9 N -1.02 4.63 -0.41 -5.08 -4.23 -1.26 -4.88 115.64 103.39 1hqk s THR 9 Ca 0.17 1.60 0.14 0.00 -1.18 0.00 0.00 61.69 62.42 1hqk s THR 9 Cb 0.09 -4.10 0.40 0.00 1.34 0.00 0.00 72.50 70.24 1hqk s THR 9 CO 0.11 0.43 1.32 0.00 -0.54 0.00 0.00 174.62 175.94 1hqk n ALA 10 N 2.35 2.60 -1.68 3.99 0.00 0.15 -4.97 120.51 122.96 1hqk n ALA 10 Ca -0.04 -1.86 -0.45 0.00 0.00 0.00 0.00 53.44 51.08 1hqk n ALA 10 Cb 0.50 -0.55 -0.04 0.00 0.00 0.00 0.00 19.45 19.36 1hqk n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1hqk n GLU 11 N -0.24 2.28 -0.72 0.00 2.13 -1.25 -1.55 120.64 121.30 1hqk n GLU 11 Ca 0.16 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.80 1hqk n GLU 11 Cb 0.68 -2.59 0.00 0.00 0.27 0.00 0.00 31.44 29.80 1hqk n GLU 11 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hqk n GLY 12 N 3.27 0.99 3.82 8.31 0.00 -1.26 -4.99 105.19 115.32 1hqk n GLY 12 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1hqk n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hqk s LEU 13 N 0.00 4.14 -0.11 0.99 1.43 -0.60 -5.06 118.68 119.47 1hqk s LEU 13 Ca 0.00 1.58 0.01 0.00 -1.03 0.00 0.00 54.13 54.70 1hqk s LEU 13 Cb 0.00 -4.13 0.02 0.00 0.03 0.00 0.00 46.19 42.10 1hqk s LEU 13 CO 0.00 -0.18 -0.14 -0.13 0.23 0.00 0.00 176.35 176.13 1hqk s ARG 14 N -2.64 2.12 0.04 1.70 0.52 -1.26 -4.61 118.95 114.82 1hqk s ARG 14 Ca 0.54 -0.52 0.09 0.00 -0.52 0.00 0.00 55.73 55.32 1hqk s ARG 14 Cb -0.13 -1.84 -0.03 0.00 0.52 0.00 0.00 34.95 33.47 1hqk s ARG 14 CO 0.18 -0.09 -0.24 -0.06 0.02 0.00 0.00 175.30 175.11 1hqk s PHE 15 N 1.08 2.38 -0.11 -0.53 0.40 -0.58 0.19 117.98 120.82 1hqk s PHE 15 Ca -0.05 -0.37 -0.03 0.00 -0.60 0.00 0.00 56.93 55.88 1hqk s PHE 15 Cb -0.15 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 41.94 1hqk s PHE 15 CO -0.03 0.16 0.00 0.20 0.70 0.00 0.00 175.22 176.26 1hqk s GLY 16 N -1.30 1.83 -0.12 4.36 0.00 -0.63 -0.79 107.32 110.66 1hqk s GLY 16 Ca 0.12 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 44.08 1hqk s GLY 16 CO 0.03 -0.38 -0.23 -0.42 0.00 0.00 0.00 173.10 172.10 1hqk s ILE 17 N -0.46 2.07 -0.22 0.90 1.01 0.61 -0.51 121.20 124.60 1hqk s ILE 17 Ca 0.08 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.70 1hqk s ILE 17 Cb -0.12 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 1hqk s ILE 17 CO 0.02 0.55 -0.04 -0.69 0.00 0.00 0.00 174.94 174.78 1hqk s VAL 18 N 0.62 3.37 -0.08 2.92 1.01 -0.65 -0.39 120.40 127.20 1hqk s VAL 18 Ca -0.12 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1hqk s VAL 18 Cb -0.17 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.70 1hqk s VAL 18 CO 0.03 0.43 -0.15 0.00 0.00 0.00 0.00 175.10 175.40 1hqk s ALA 19 N 1.44 1.51 0.69 5.51 0.00 0.14 -0.70 121.76 130.35 1hqk s ALA 19 Ca 0.05 -0.58 -0.11 0.00 0.00 0.00 0.00 51.96 51.32 1hqk s ALA 19 Cb -0.14 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1hqk s ALA 19 CO -0.03 0.09 1.08 -1.54 0.00 0.00 0.00 175.76 175.36 1hqk s SER 20 N 0.70 5.55 0.00 0.00 1.04 -0.76 -1.98 113.70 118.26 1hqk s SER 20 Ca -0.13 1.27 0.21 0.00 0.48 0.00 0.00 55.95 57.78 1hqk s SER 20 Cb -0.16 -2.14 -0.25 0.00 0.10 0.00 0.00 66.02 63.57 1hqk s SER 20 CO 0.03 -1.29 0.57 0.54 0.98 0.00 0.00 173.24 174.07 1hqk n ARG 21 N -2.99 0.65 -2.01 4.02 1.74 0.20 -4.82 116.66 113.44 1hqk n ARG 21 Ca 0.07 -0.08 -0.40 0.00 -0.77 0.00 0.00 57.85 56.67 1hqk n ARG 21 Cb 0.56 -1.60 -0.01 0.00 -1.02 0.00 0.00 32.46 30.39 1hqk n ARG 21 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1hqk s PHE 22 N -3.32 2.84 -1.34 -1.55 5.36 -0.50 -1.76 117.98 117.72 1hqk s PHE 22 Ca -0.06 1.36 -0.07 0.00 -0.96 0.00 0.00 56.93 57.20 1hqk s PHE 22 Cb 0.12 -3.76 0.01 0.00 -0.34 0.00 0.00 43.02 39.05 1hqk s PHE 22 CO 0.87 -2.22 0.89 0.09 -1.46 0.00 0.00 175.22 173.38 1hqk n ASN 23 N 0.43 -5.99 0.27 6.13 3.02 -1.26 -4.52 115.26 113.35 1hqk n ASN 23 Ca 0.02 -0.41 0.12 0.00 -0.03 0.00 0.00 54.58 54.28 1hqk n ASN 23 Cb 0.42 -4.69 0.78 0.00 -0.61 0.00 0.00 39.78 35.67 1hqk n ASN 23 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 1hqk h HIS 24 N -2.03 0.00 0.00 3.10 2.07 -1.66 0.15 115.15 116.78 1hqk h HIS 24 Ca -0.52 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 56.98 1hqk h HIS 24 Cb 1.34 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.32 1hqk h HIS 24 CO 0.47 0.06 -0.12 0.00 -3.07 0.00 0.00 177.93 175.27 1hqk h ALA 25 N 1.94 1.44 0.04 6.11 0.00 -1.90 0.14 119.26 127.04 1hqk h ALA 25 Ca -0.00 -0.11 -0.38 0.00 0.00 0.00 0.00 54.91 54.41 1hqk h ALA 25 Cb 0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1hqk h ALA 25 CO 0.01 0.16 -2.28 1.28 0.00 0.00 0.00 179.25 178.41 1hqk n LEU 26 N -3.87 2.76 -0.34 0.00 4.77 0.36 -4.25 117.00 116.41 1hqk n LEU 26 Ca -0.02 0.03 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1hqk n LEU 26 Cb 0.22 -0.97 0.14 0.00 -2.33 0.00 0.00 43.42 40.48 1hqk n LEU 26 CO 0.32 0.86 1.29 0.58 -1.33 0.00 0.00 177.39 179.10 1hqk h VAL 27 N -0.09 1.24 -0.16 4.08 2.07 -0.85 -1.96 116.25 120.58 1hqk h VAL 27 Ca -0.53 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1hqk h VAL 27 Cb 1.90 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1hqk h VAL 27 CO -0.06 0.24 0.08 0.44 0.02 0.00 0.00 177.57 178.29 1hqk h ASP 28 N 1.29 0.19 -0.43 0.57 3.32 -0.93 0.70 116.42 121.13 1hqk h ASP 28 Ca 0.35 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.29 1hqk h ASP 28 Cb -0.14 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1hqk h ASP 28 CO -0.08 0.16 -0.13 0.03 -1.72 0.00 0.00 179.24 177.51 1hqk h ARG 29 N 0.22 0.90 -0.62 3.56 2.47 -1.54 -1.99 114.38 117.38 1hqk h ARG 29 Ca 0.06 -0.33 -0.06 0.00 -1.26 0.00 0.00 59.98 58.39 1hqk h ARG 29 Cb 0.02 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.25 1hqk h ARG 29 CO -0.01 0.98 0.14 -0.07 0.56 0.00 0.00 179.97 181.57 1hqk h LEU 30 N 0.81 0.96 -0.48 3.04 3.38 -0.68 -1.10 115.31 121.24 1hqk h LEU 30 Ca 0.13 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1hqk h LEU 30 Cb 0.66 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1hqk h LEU 30 CO 0.05 0.95 0.28 0.58 0.09 0.00 0.00 178.44 180.39 1hqk h VAL 31 N 0.92 1.15 -0.63 1.22 2.07 -0.94 0.11 116.25 120.15 1hqk h VAL 31 Ca 0.19 -0.37 0.07 0.00 0.82 0.00 0.00 66.70 67.42 1hqk h VAL 31 Cb 0.37 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 1hqk h VAL 31 CO 0.00 0.16 0.31 -0.33 0.02 0.00 0.00 177.57 177.73 1hqk h GLU 32 N 0.64 0.54 -0.50 1.57 5.08 -1.26 -1.20 114.58 119.45 1hqk h GLU 32 Ca 0.17 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1hqk h GLU 32 Cb 0.01 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1hqk h GLU 32 CO -0.03 0.36 -0.06 0.78 -1.00 0.00 0.00 179.01 179.06 1hqk h GLY 33 N 0.55 0.99 1.00 -3.84 0.00 -0.67 -1.08 103.07 100.02 1hqk h GLY 33 Ca 0.30 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1hqk h GLY 33 CO -0.23 0.71 0.36 0.00 0.00 0.00 0.00 176.54 177.37 1hqk h ALA 34 N 0.91 0.81 -0.30 3.60 0.00 -0.22 -1.28 119.26 122.78 1hqk h ALA 34 Ca 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1hqk h ALA 34 Cb 0.59 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1hqk h ALA 34 CO 0.04 0.32 0.03 0.82 0.00 0.00 0.00 179.25 180.45 1hqk h ILE 35 N 0.86 1.24 -0.45 0.00 2.04 -1.15 -1.71 117.51 118.35 1hqk h ILE 35 Ca 0.22 -0.86 0.05 0.00 1.00 0.00 0.00 64.86 65.28 1hqk h ILE 35 Cb 0.02 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 1hqk h ILE 35 CO -0.04 0.28 0.17 -0.78 0.00 0.00 0.00 178.15 177.78 1hqk h ASP 36 N 0.32 0.19 -0.37 1.72 3.58 -1.13 -0.42 116.42 120.32 1hqk h ASP 36 Ca 0.09 0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.61 1hqk h ASP 36 Cb 0.38 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 1hqk h ASP 36 CO 0.01 0.15 0.20 0.00 -2.88 0.00 0.00 179.24 176.72 1hqk h ILE 38 N 0.42 0.60 -0.51 0.00 2.04 -0.87 -2.11 117.51 117.09 1hqk h ILE 38 Ca 0.15 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.92 1hqk h ILE 38 Cb 0.03 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1hqk h ILE 38 CO -0.09 0.00 0.02 0.58 0.00 0.00 0.00 178.15 178.67 1hqk h VAL 39 N -0.55 1.26 -0.00 1.67 2.07 -0.91 -1.03 116.25 118.75 1hqk h VAL 39 Ca -0.06 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1hqk h VAL 39 Cb 0.42 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1hqk h VAL 39 CO 0.09 0.37 -0.03 0.54 0.02 0.00 0.00 177.57 178.56 1hqk n ARG 40 N -4.33 0.44 -0.14 1.57 1.74 -0.00 -1.59 116.66 114.35 1hqk n ARG 40 Ca 0.01 -0.04 0.09 0.00 -0.77 0.00 0.00 57.85 57.15 1hqk n ARG 40 Cb 0.31 -1.50 0.29 0.00 -1.02 0.00 0.00 32.46 30.53 1hqk n ARG 40 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1hqk n HIS 41 N -1.24 0.37 0.00 -1.55 8.25 -0.80 -4.93 115.22 115.32 1hqk n HIS 41 Ca 0.14 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1hqk n HIS 41 Cb 0.25 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 1hqk n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hqk n GLY 42 N 1.19 0.57 3.80 -1.41 0.00 -0.62 -0.67 105.19 108.05 1hqk n GLY 42 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1hqk n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hqk s GLY 43 N -0.91 2.57 0.10 -0.02 0.00 -0.43 -3.77 107.32 104.86 1hqk s GLY 43 Ca 0.00 0.56 -0.20 0.00 0.00 0.00 0.00 44.72 45.08 1hqk s GLY 43 CO 0.00 0.91 0.61 0.50 0.00 0.00 0.00 173.10 175.12 1hqk s ARG 44 N -2.88 4.25 0.45 2.90 0.52 -1.26 -4.10 118.95 118.83 1hqk s ARG 44 Ca 0.61 0.80 0.11 0.00 -0.52 0.00 0.00 55.73 56.73 1hqk s ARG 44 Cb -0.16 -3.21 1.00 0.00 0.52 0.00 0.00 34.95 33.10 1hqk s ARG 44 CO 0.20 0.61 2.06 1.05 0.02 0.00 0.00 175.30 179.24 1hqk h GLU 45 N 4.41 0.25 0.00 3.54 -0.00 -1.95 -1.38 114.58 119.45 1hqk h GLU 45 Ca -0.49 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 58.84 1hqk h GLU 45 Cb 1.21 -0.05 0.00 0.00 -0.00 0.00 0.00 28.75 29.91 1hqk h GLU 45 CO 0.64 0.22 0.00 0.93 -0.00 0.00 0.00 179.01 180.80 1hqk h GLU 46 N 0.25 0.00 -0.62 1.06 3.07 -2.00 -1.99 114.58 114.34 1hqk h GLU 46 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1hqk h GLU 46 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1hqk h GLU 46 CO -0.01 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.35 1hqk n ASP 47 N -2.84 3.72 -4.80 1.42 8.00 -0.52 -4.85 116.55 116.68 1hqk n ASP 47 Ca -0.01 -2.22 -0.36 0.00 0.71 0.00 0.00 54.79 52.91 1hqk n ASP 47 Cb 0.14 -0.48 -0.07 0.00 -0.02 0.00 0.00 41.12 40.69 1hqk n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1hqk s ILE 48 N -1.55 5.44 -0.18 0.53 1.01 -0.75 -1.52 121.20 124.17 1hqk s ILE 48 Ca 0.42 0.24 -0.01 0.00 0.00 0.00 0.00 60.65 61.29 1hqk s ILE 48 Cb 0.25 -3.46 -0.00 0.00 0.01 0.00 0.00 42.46 39.26 1hqk s ILE 48 CO 0.23 0.52 -0.11 -0.89 0.00 0.00 0.00 174.94 174.70 1hqk s THR 49 N -0.30 2.94 -0.22 2.92 2.01 0.03 -4.98 115.64 118.04 1hqk s THR 49 Ca 0.12 -0.66 -0.06 0.00 0.31 0.00 0.00 61.69 61.40 1hqk s THR 49 Cb -0.12 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.08 1hqk s THR 49 CO 0.01 0.48 0.03 -0.22 -0.69 0.00 0.00 174.62 174.23 1hqk s LEU 50 N 1.10 3.33 -0.17 4.42 2.96 -1.26 -0.28 118.68 128.78 1hqk s LEU 50 Ca 0.00 -0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1hqk s LEU 50 Cb -0.14 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 1hqk s LEU 50 CO -0.03 0.03 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.27 1hqk s VAL 51 N 1.22 3.40 -0.12 1.68 1.01 0.48 -4.97 120.40 123.10 1hqk s VAL 51 Ca 0.04 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 1hqk s VAL 51 Cb -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1hqk s VAL 51 CO 0.02 0.48 0.13 -0.13 0.00 0.00 0.00 175.10 175.59 1hqk s ARG 52 N 0.78 3.42 0.17 2.72 0.52 -1.26 -0.69 118.95 124.62 1hqk s ARG 52 Ca -0.03 -0.16 0.02 0.00 -0.52 0.00 0.00 55.73 55.04 1hqk s ARG 52 Cb -0.15 -3.16 -0.05 0.00 0.52 0.00 0.00 34.95 32.12 1hqk s ARG 52 CO 0.02 0.75 -0.01 0.14 0.02 0.00 0.00 175.30 176.22 1hqk s VAL 53 N -0.96 0.73 -0.02 3.52 -7.23 -0.84 -4.92 120.40 110.69 1hqk s VAL 53 Ca 0.15 -1.99 -0.24 0.00 -1.81 0.00 0.00 61.98 58.09 1hqk s VAL 53 Cb -0.12 -2.08 -0.20 0.00 0.56 0.00 0.00 36.38 34.54 1hqk s VAL 53 CO 0.04 -0.51 1.22 -0.65 -0.31 0.00 0.00 175.10 174.88 1hqk h PRO 54 N 2.70 0.13 -4.66 4.82 0.10 -1.94 0.59 132.00 133.75 1hqk h PRO 54 Ca -0.37 -0.08 -0.29 0.00 0.10 0.00 0.00 66.00 65.36 1hqk h PRO 54 Cb 1.20 0.01 -0.15 0.00 0.10 0.00 0.00 31.00 32.17 1hqk h PRO 54 CO 0.63 0.66 -0.60 0.20 0.10 0.00 0.00 178.00 178.99 1hqk s GLY 55 N -3.44 1.61 0.49 -0.55 0.00 -1.26 -1.41 107.32 102.77 1hqk s GLY 55 Ca -0.16 -1.77 0.16 0.00 0.00 0.00 0.00 44.72 42.95 1hqk s GLY 55 CO 0.71 -1.43 2.08 1.76 0.00 0.00 0.00 173.10 176.22 1hqk h SER 56 N 2.52 0.14 -0.95 1.64 0.02 -1.92 -2.02 113.55 112.99 1hqk h SER 56 Ca -0.34 -0.00 0.17 0.00 -0.84 0.00 0.00 61.79 60.77 1hqk h SER 56 Cb 1.25 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.67 1hqk h SER 56 CO 0.51 0.10 0.60 -0.25 -1.14 0.00 0.00 176.83 176.65 1hqk h TRP 57 N 0.16 0.90 -0.00 3.45 2.91 -1.96 -1.43 115.95 119.99 1hqk h TRP 57 Ca 0.11 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.16 1hqk h TRP 57 Cb 0.25 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.62 1hqk h TRP 57 CO -0.00 0.28 -0.29 0.39 -1.03 0.00 0.00 178.44 177.78 1hqk n GLU 58 N -4.63 0.39 -0.12 2.65 4.71 -0.76 -4.26 120.64 118.61 1hqk n GLU 58 Ca 0.20 -0.19 -0.05 0.00 -0.01 0.00 0.00 57.16 57.11 1hqk n GLU 58 Cb 0.53 -1.50 0.03 0.00 -1.01 0.00 0.00 31.44 29.50 1hqk n GLU 58 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1hqk h ILE 59 N 0.47 0.77 -0.11 -3.67 2.04 -1.24 -3.12 117.51 112.64 1hqk h ILE 59 Ca 0.00 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.82 1hqk h ILE 59 Cb 0.47 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1hqk h ILE 59 CO 0.00 0.03 -0.05 -0.65 0.00 0.00 0.00 178.15 177.48 1hqk h PRO 60 N 0.18 -0.04 -0.41 2.37 0.11 -1.77 0.02 132.00 132.46 1hqk h PRO 60 Ca 0.20 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.23 1hqk h PRO 60 Cb 0.25 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1hqk h PRO 60 CO -0.28 -0.03 -0.08 -0.24 -0.21 0.00 0.00 178.00 177.16 1hqk h VAL 61 N -0.04 1.25 -0.45 3.15 3.04 -1.84 0.11 116.25 121.47 1hqk h VAL 61 Ca 0.06 -1.09 -0.13 0.00 -1.01 0.00 0.00 66.70 64.53 1hqk h VAL 61 Cb 0.14 1.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 1hqk h VAL 61 CO -0.14 0.37 -0.24 0.00 -1.01 0.00 0.00 177.57 176.55 1hqk h ALA 62 N 1.25 0.72 -0.53 3.17 0.00 -1.45 -2.97 119.26 119.45 1hqk h ALA 62 Ca 0.12 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1hqk h ALA 62 Cb 0.53 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1hqk h ALA 62 CO 0.03 0.67 0.19 0.00 0.00 0.00 0.00 179.25 180.14 1hqk h ALA 63 N 0.92 1.34 -0.50 0.00 0.00 -0.12 -2.25 119.26 118.64 1hqk h ALA 63 Ca 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1hqk h ALA 63 Cb 0.81 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1hqk h ALA 63 CO 0.07 0.49 0.17 0.78 0.00 0.00 0.00 179.25 180.75 1hqk h GLY 64 N 0.91 0.78 0.84 0.00 0.00 -0.71 0.15 103.07 105.04 1hqk h GLY 64 Ca 0.18 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 1hqk h GLY 64 CO -0.01 0.38 -0.23 0.83 0.00 0.00 0.00 176.54 177.51 1hqk h GLU 65 N 0.72 0.50 -0.53 4.80 4.39 -1.29 -2.82 114.58 120.35 1hqk h GLU 65 Ca 0.17 -0.28 -0.08 0.00 0.34 0.00 0.00 59.36 59.52 1hqk h GLU 65 Cb 0.20 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1hqk h GLU 65 CO -0.01 0.86 0.03 -0.07 -1.16 0.00 0.00 179.01 178.66 1hqk h LEU 66 N 0.17 0.89 -1.28 1.33 3.38 -1.18 -2.85 115.31 115.77 1hqk h LEU 66 Ca 0.03 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1hqk h LEU 66 Cb 0.78 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1hqk h LEU 66 CO 0.05 0.96 0.00 0.00 0.09 0.00 0.00 178.44 179.54 1hqk h ALA 67 N 0.96 1.00 0.00 1.53 0.00 -0.75 -1.73 119.26 120.27 1hqk h ALA 67 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1hqk h ALA 67 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1hqk h ALA 67 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1hqk h ARG 68 N 0.00 0.00 -6.64 0.00 3.08 -1.25 -3.45 114.38 106.12 1hqk h ARG 68 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1hqk h ARG 68 Cb 0.54 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.63 1hqk h ARG 68 CO 0.00 0.00 0.76 0.15 -1.07 0.00 0.00 179.97 179.81 1hqk s LYS 69 N -3.19 4.29 0.45 0.04 1.02 -0.65 -4.91 119.74 116.79 1hqk s LYS 69 Ca 0.08 2.20 0.19 0.00 0.02 0.00 0.00 55.97 58.47 1hqk s LYS 69 Cb 0.11 -3.18 1.05 0.00 -0.52 0.00 0.00 37.83 35.29 1hqk s LYS 69 CO 0.55 -0.44 1.94 1.49 -0.92 0.00 0.00 175.35 177.97 1hqk h GLU 70 N 6.03 0.00 -0.65 1.68 4.22 -1.88 -2.64 114.58 121.33 1hqk h GLU 70 Ca -0.44 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.00 1hqk h GLU 70 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1hqk h GLU 70 CO 0.83 0.24 0.00 -0.40 -2.18 0.00 0.00 179.01 177.50 1hqk n ASP 71 N -3.89 4.30 -4.34 1.04 5.75 -1.26 -4.79 116.55 113.35 1hqk n ASP 71 Ca -0.02 -2.55 -0.34 0.00 -0.01 0.00 0.00 54.79 51.87 1hqk n ASP 71 Cb 0.32 -0.58 -0.14 0.00 -1.03 0.00 0.00 41.12 39.69 1hqk n ASP 71 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1hqk s ILE 72 N -2.10 3.30 -0.03 2.12 -1.09 -1.00 -4.77 121.20 117.64 1hqk s ILE 72 Ca 0.41 -0.54 0.12 0.00 -2.23 0.00 0.00 60.65 58.42 1hqk s ILE 72 Cb 0.29 -2.46 -0.18 0.00 -1.58 0.00 0.00 42.46 38.53 1hqk s ILE 72 CO 0.16 0.46 0.92 0.44 -1.23 0.00 0.00 174.94 175.69 1hqk h ASP 73 N 7.55 0.00 -5.00 3.58 3.32 -0.56 -3.47 116.42 121.84 1hqk h ASP 73 Ca -0.36 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.65 1hqk h ASP 73 Cb 1.18 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.57 1hqk h ASP 73 CO 0.60 0.87 0.19 0.00 -1.72 0.00 0.00 179.24 179.17 1hqk s ALA 74 N -2.72 -1.67 -0.07 3.45 0.00 -1.20 -4.50 121.76 115.05 1hqk s ALA 74 Ca -0.02 0.93 0.04 0.00 0.00 0.00 0.00 51.96 52.91 1hqk s ALA 74 Cb 0.09 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 1hqk s ALA 74 CO 0.81 -0.54 -0.19 0.08 0.00 0.00 0.00 175.76 175.92 1hqk s VAL 75 N -2.34 2.60 -0.23 0.00 1.01 -0.61 -1.61 120.40 119.23 1hqk s VAL 75 Ca -0.06 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 1hqk s VAL 75 Cb -0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1hqk s VAL 75 CO -0.00 0.57 -0.02 -0.63 0.00 0.00 0.00 175.10 175.01 1hqk s ILE 76 N -0.26 3.47 -0.20 2.22 1.01 0.33 -0.18 121.20 127.59 1hqk s ILE 76 Ca 0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 1hqk s ILE 76 Cb -0.13 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 1hqk s ILE 76 CO 0.03 0.37 0.21 0.00 0.00 0.00 0.00 174.94 175.55 1hqk s ALA 77 N 1.48 3.63 -0.08 9.38 0.00 -0.74 -1.64 121.76 133.79 1hqk s ALA 77 Ca 0.05 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.36 1hqk s ALA 77 Cb -0.15 -2.32 0.02 0.00 0.00 0.00 0.00 23.12 20.67 1hqk s ALA 77 CO -0.02 -0.00 -0.10 0.42 0.00 0.00 0.00 175.76 176.06 1hqk s ILE 78 N 0.68 1.02 0.15 0.00 1.01 0.12 -0.06 121.20 124.11 1hqk s ILE 78 Ca 0.11 -0.37 -0.25 0.00 0.00 0.00 0.00 60.65 60.15 1hqk s ILE 78 Cb -0.13 -0.98 0.07 0.00 0.01 0.00 0.00 42.46 41.43 1hqk s ILE 78 CO 0.02 0.34 1.01 -0.83 0.00 0.00 0.00 174.94 175.48 1hqk s GLY 79 N 1.07 -0.17 -0.13 6.18 0.00 -1.16 -1.82 107.32 111.29 1hqk s GLY 79 Ca -0.07 0.07 -0.02 0.00 0.00 0.00 0.00 44.72 44.70 1hqk s GLY 79 CO -0.01 0.50 0.00 0.14 0.00 0.00 0.00 173.10 173.74 1hqk s VAL 80 N -2.96 0.58 -0.13 1.40 1.01 -1.26 -0.83 120.40 118.21 1hqk s VAL 80 Ca 0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1hqk s VAL 80 Cb -0.01 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 1hqk s VAL 80 CO 0.02 0.08 -0.02 -0.76 0.00 0.00 0.00 175.10 174.42 1hqk s LEU 81 N 1.86 3.37 -0.07 3.92 1.43 0.61 -4.74 118.68 125.06 1hqk s LEU 81 Ca 0.02 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1hqk s LEU 81 Cb -0.14 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.29 1hqk s LEU 81 CO -0.07 0.25 -0.13 -0.63 0.23 0.00 0.00 176.35 176.00 1hqk s ILE 82 N -0.09 1.18 0.28 -0.59 1.01 -1.26 -0.57 121.20 121.16 1hqk s ILE 82 Ca 0.03 -0.50 -0.30 0.00 0.00 0.00 0.00 60.65 59.88 1hqk s ILE 82 Cb -0.13 -1.08 -0.10 0.00 0.01 0.00 0.00 42.46 41.16 1hqk s ILE 82 CO 0.02 0.37 1.47 -0.60 0.00 0.00 0.00 174.94 176.20 1hqk s ARG 83 N 0.67 4.23 0.00 2.79 3.52 -0.33 -4.92 118.95 124.91 1hqk s ARG 83 Ca -0.14 2.38 0.00 0.00 -0.13 0.00 0.00 55.73 57.83 1hqk s ARG 83 Cb -0.16 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 1hqk s ARG 83 CO 0.04 -0.46 0.00 0.41 -0.81 0.00 0.00 175.30 174.48 1hqk n GLY 84 N 1.93 2.80 0.13 8.12 0.00 -1.26 -4.82 105.19 112.08 1hqk n GLY 84 Ca 0.06 -1.89 0.02 0.00 0.00 0.00 0.00 46.02 44.21 1hqk n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqk h ALA 85 N -0.48 0.67 -0.75 4.61 0.00 -2.01 -3.47 119.26 117.84 1hqk h ALA 85 Ca 0.00 -0.50 -0.52 0.00 0.00 0.00 0.00 54.91 53.90 1hqk h ALA 85 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1hqk h ALA 85 CO 0.00 0.64 -0.17 0.95 0.00 0.00 0.00 179.25 180.68 1hqk s THR 86 N -2.97 2.02 -2.00 0.00 -4.23 -1.26 -5.00 115.64 102.20 1hqk s THR 86 Ca 0.03 -1.16 0.15 0.00 -1.18 0.00 0.00 61.69 59.53 1hqk s THR 86 Cb 0.08 -2.18 0.41 0.00 1.34 0.00 0.00 72.50 72.15 1hqk s THR 86 CO 0.76 0.00 1.39 -0.81 -0.54 0.00 0.00 174.62 175.41 1hqk n PRO 87 N -2.08 0.76 -0.23 3.99 -0.04 -1.26 -4.13 135.00 132.00 1hqk n PRO 87 Ca 0.10 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.53 1hqk n PRO 87 Cb 0.62 -1.30 0.04 0.00 -0.04 0.00 0.00 33.50 32.82 1hqk n PRO 87 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1hqk h HIS 88 N 0.00 -0.74 -0.80 0.54 2.76 -1.95 -1.20 115.15 113.76 1hqk h HIS 88 Ca 0.00 0.07 0.17 0.00 -2.20 0.00 0.00 60.37 58.41 1hqk h HIS 88 Cb 0.00 0.42 -0.15 0.00 1.55 0.00 0.00 27.41 29.24 1hqk h HIS 88 CO 0.00 -0.36 -0.11 0.35 -1.30 0.00 0.00 177.93 176.51 1hqk h PHE 89 N -0.10 -0.27 -0.50 5.26 3.57 -1.92 -1.02 116.94 121.96 1hqk h PHE 89 Ca 0.28 0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.93 1hqk h PHE 89 Cb 0.55 0.25 -0.07 0.00 2.79 0.00 0.00 35.95 39.46 1hqk h PHE 89 CO -0.63 -0.32 0.11 -0.44 -2.23 0.00 0.00 178.31 174.80 1hqk h ASP 90 N 0.03 0.03 -0.21 0.41 3.45 -1.52 0.79 116.42 119.39 1hqk h ASP 90 Ca 0.41 0.08 -0.20 0.00 0.43 0.00 0.00 57.03 57.75 1hqk h ASP 90 Cb 0.69 0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.57 1hqk h ASP 90 CO -0.78 0.04 -0.65 1.88 -1.57 0.00 0.00 179.24 178.16 1hqk h TYR 91 N 0.25 1.08 0.07 4.55 0.05 -1.24 -1.03 116.97 120.70 1hqk h TYR 91 Ca 0.25 -0.43 -0.00 0.00 0.05 0.00 0.00 58.73 58.60 1hqk h TYR 91 Cb 0.32 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.88 1hqk h TYR 91 CO -0.22 1.26 -0.03 0.82 -1.05 0.00 0.00 178.16 178.94 1hqk h ILE 92 N 0.61 1.10 -0.95 -2.88 1.08 -0.99 -1.87 117.51 113.61 1hqk h ILE 92 Ca -0.02 -0.60 0.07 0.00 -0.39 0.00 0.00 64.86 63.93 1hqk h ILE 92 Cb 1.27 1.49 -0.06 0.00 -3.07 0.00 0.00 36.82 36.44 1hqk h ILE 92 CO 0.14 0.15 0.61 0.00 -0.69 0.00 0.00 178.15 178.36 1hqk h ALA 93 N 0.54 1.49 -0.57 1.87 0.00 -0.87 -0.29 119.26 121.44 1hqk h ALA 93 Ca -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1hqk h ALA 93 Cb 0.32 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1hqk h ALA 93 CO 0.02 0.35 0.19 1.03 0.00 0.00 0.00 179.25 180.84 1hqk h SER 94 N 1.06 0.81 0.96 0.00 0.87 -1.07 -2.24 113.55 113.93 1hqk h SER 94 Ca 0.42 -0.19 -0.21 0.00 -1.23 0.00 0.00 61.79 60.57 1hqk h SER 94 Cb 0.24 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1hqk h SER 94 CO -0.17 0.79 -1.09 -0.33 -0.53 0.00 0.00 176.83 175.50 1hqk h GLU 95 N 0.79 0.00 -0.26 2.24 4.39 -0.74 -0.44 114.58 120.56 1hqk h GLU 95 Ca 0.18 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.83 1hqk h GLU 95 Cb 0.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1hqk h GLU 95 CO -0.01 0.79 -0.04 0.28 -1.16 0.00 0.00 179.01 178.86 1hqk h VAL 96 N 0.00 1.28 -0.13 3.13 2.07 -1.06 0.15 116.25 121.70 1hqk h VAL 96 Ca -0.07 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 1hqk h VAL 96 Cb 1.75 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1hqk h VAL 96 CO 0.11 0.32 -0.00 0.77 0.02 0.00 0.00 177.57 178.79 1hqk h SER 97 N 0.24 0.22 -0.63 0.57 4.64 -1.41 -2.32 113.55 114.87 1hqk h SER 97 Ca 0.07 -0.31 0.06 0.00 -0.47 0.00 0.00 61.79 61.13 1hqk h SER 97 Cb 0.50 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 62.48 1hqk h SER 97 CO 0.02 0.48 0.34 0.50 -0.87 0.00 0.00 176.83 177.30 1hqk h LYS 98 N -0.04 0.61 -0.30 4.77 3.11 -1.07 -1.47 116.57 122.19 1hqk h LYS 98 Ca 0.04 -0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 1hqk h LYS 98 Cb 0.37 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.45 1hqk h LYS 98 CO 0.01 0.41 0.03 0.78 -2.81 0.00 0.00 179.45 177.86 1hqk h GLY 99 N 0.63 0.54 1.05 5.01 0.00 -0.87 -0.47 103.07 108.96 1hqk h GLY 99 Ca 0.28 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 1hqk h GLY 99 CO -0.18 0.34 0.29 1.41 0.00 0.00 0.00 176.54 178.40 1hqk h LEU 100 N 0.31 1.09 -0.26 3.11 3.38 -1.28 0.13 115.31 121.80 1hqk h LEU 100 Ca 0.09 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1hqk h LEU 100 Cb 0.37 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1hqk h LEU 100 CO 0.01 0.98 0.02 0.00 0.09 0.00 0.00 178.44 179.54 1hqk h ALA 101 N 1.15 0.35 -0.44 1.53 0.00 -0.98 -1.46 119.26 119.41 1hqk h ALA 101 Ca 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1hqk h ALA 101 Cb 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1hqk h ALA 101 CO -0.02 0.07 0.28 -0.91 0.00 0.00 0.00 179.25 178.67 1hqk h ASN 102 N 0.24 0.52 -0.78 0.00 2.35 -0.96 -2.62 115.58 114.32 1hqk h ASN 102 Ca 0.08 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1hqk h ASN 102 Cb 0.39 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 1hqk h ASN 102 CO 0.01 0.40 0.44 -0.07 -1.65 0.00 0.00 177.43 176.56 1hqk h LEU 103 N 0.59 0.97 -0.59 1.61 3.38 -0.75 -0.03 115.31 120.48 1hqk h LEU 103 Ca 0.16 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1hqk h LEU 103 Cb -0.03 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1hqk h LEU 103 CO -0.03 0.78 0.35 -1.28 0.09 0.00 0.00 178.44 178.34 1hqk h SER 104 N 1.10 0.72 -0.29 -0.43 0.87 -0.96 -0.37 113.55 114.19 1hqk h SER 104 Ca 0.28 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 1hqk h SER 104 Cb 0.01 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1hqk h SER 104 CO -0.05 0.58 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.74 1hqk h LEU 105 N 0.80 0.52 -0.57 2.23 3.38 -1.12 0.65 115.31 121.19 1hqk h LEU 105 Ca 0.21 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1hqk h LEU 105 Cb -0.00 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1hqk h LEU 105 CO -0.04 0.72 0.29 -0.08 0.09 0.00 0.00 178.44 179.43 1hqk h GLU 106 N 0.30 0.81 -0.01 1.13 4.81 -0.84 -3.06 114.58 117.72 1hqk h GLU 106 Ca 0.08 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1hqk h GLU 106 Cb 0.47 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1hqk h GLU 106 CO 0.02 0.64 -0.29 1.28 -0.73 0.00 0.00 179.01 179.93 1hqk n LEU 107 N -4.57 1.15 -3.74 1.64 4.77 -0.16 -4.96 117.00 111.13 1hqk n LEU 107 Ca 0.03 -0.33 -0.23 0.00 -0.03 0.00 0.00 56.01 55.46 1hqk n LEU 107 Cb 0.11 -0.11 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1hqk n LEU 107 CO 0.37 0.22 -0.10 0.54 -1.33 0.00 0.00 177.39 177.09 1hqk n ARG 108 N -0.58 -3.99 -3.73 3.23 1.74 0.18 -4.98 116.66 108.53 1hqk n ARG 108 Ca 0.12 0.56 -0.12 0.00 -0.77 0.00 0.00 57.85 57.64 1hqk n ARG 108 Cb 0.36 -4.93 -0.11 0.00 -1.02 0.00 0.00 32.46 26.77 1hqk n ARG 108 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1hqk s LYS 109 N -6.04 0.38 0.23 5.56 2.20 -0.92 -5.05 119.74 116.09 1hqk s LYS 109 Ca 0.08 0.61 -0.31 0.00 -0.36 0.00 0.00 55.97 55.98 1hqk s LYS 109 Cb -0.02 0.07 -0.11 0.00 -1.51 0.00 0.00 37.83 36.25 1hqk s LYS 109 CO 0.83 -0.11 1.65 -2.14 -0.36 0.00 0.00 175.35 175.23 1hqk s PRO 110 N 0.80 4.14 -0.12 4.03 0.02 -1.26 -4.50 135.00 138.10 1hqk s PRO 110 Ca -0.05 2.55 -0.01 0.00 0.02 0.00 0.00 61.00 63.52 1hqk s PRO 110 Cb -0.06 -3.07 0.03 0.00 0.02 0.00 0.00 34.50 31.42 1hqk s PRO 110 CO -0.06 -0.68 -0.06 0.42 -0.33 0.00 0.00 177.00 176.29 1hqk s ILE 111 N 0.78 0.96 0.21 2.83 1.01 -1.26 -1.57 121.20 124.17 1hqk s ILE 111 Ca 0.70 -0.33 0.05 0.00 0.00 0.00 0.00 60.65 61.07 1hqk s ILE 111 Cb -0.48 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 1hqk s ILE 111 CO 0.37 0.29 0.29 0.42 0.00 0.00 0.00 174.94 176.31 1hqk s THR 112 N 1.72 5.06 -0.74 2.92 -4.23 0.74 -4.95 115.64 116.16 1hqk s THR 112 Ca 0.04 -1.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.51 1hqk s THR 112 Cb -0.13 -3.70 0.19 0.00 1.34 0.00 0.00 72.50 70.20 1hqk s THR 112 CO -0.08 -0.26 0.59 0.12 -0.54 0.00 0.00 174.62 174.46 1hqk s PHE 113 N -1.93 3.60 -0.37 3.99 5.36 -1.26 -1.79 117.98 125.58 1hqk s PHE 113 Ca 0.34 -2.74 0.01 0.00 -0.96 0.00 0.00 56.93 53.57 1hqk s PHE 113 Cb -0.09 -3.28 0.40 0.00 -0.34 0.00 0.00 43.02 39.70 1hqk s PHE 113 CO 0.28 -0.82 1.78 0.41 -1.46 0.00 0.00 175.22 175.41 1hqk n GLY 114 N 3.14 4.14 3.50 13.12 0.00 0.91 -4.83 105.19 125.17 1hqk n GLY 114 Ca 0.13 -1.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 1hqk n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hqk s VAL 115 N -2.66 4.68 0.14 1.61 1.01 -1.24 -2.96 120.40 120.98 1hqk s VAL 115 Ca 0.41 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 1hqk s VAL 115 Cb 0.33 -3.21 -0.07 0.00 0.00 0.00 0.00 36.38 33.44 1hqk s VAL 115 CO 0.04 0.30 1.05 -0.63 0.00 0.00 0.00 175.10 175.86 1hqk s ILE 116 N 1.67 4.17 -0.45 2.22 1.01 -0.01 -4.92 121.20 124.90 1hqk s ILE 116 Ca 0.07 1.81 0.03 0.00 0.00 0.00 0.00 60.65 62.55 1hqk s ILE 116 Cb -0.15 -4.15 0.13 0.00 0.01 0.00 0.00 42.46 38.29 1hqk s ILE 116 CO 0.06 0.28 0.22 0.42 0.00 0.00 0.00 174.94 175.92 1hqk s THR 117 N 0.00 1.79 -0.02 2.92 -4.23 -1.26 -0.29 115.64 114.55 1hqk s THR 117 Ca 0.49 -2.69 0.01 0.00 -1.18 0.00 0.00 61.69 58.32 1hqk s THR 117 Cb -0.27 -2.26 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 1hqk s THR 117 CO 0.32 -0.83 -0.01 0.00 -0.54 0.00 0.00 174.62 173.57 1hqk s ALA 118 N 0.29 3.26 0.24 3.99 0.00 0.26 -5.01 121.76 124.79 1hqk s ALA 118 Ca 0.16 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.28 1hqk s ALA 118 Cb -0.24 -1.36 0.26 0.00 0.00 0.00 0.00 23.12 21.79 1hqk s ALA 118 CO -0.02 0.63 1.56 -0.44 0.00 0.00 0.00 175.76 177.49 1hqk h ASP 119 N 4.58 0.11 -3.86 0.00 3.32 -1.93 -0.87 116.42 117.77 1hqk h ASP 119 Ca -0.49 -0.07 -0.41 0.00 0.02 0.00 0.00 57.03 56.08 1hqk h ASP 119 Cb 1.18 -0.03 -0.17 0.00 0.22 0.00 0.00 39.33 40.53 1hqk h ASP 119 CO 0.56 0.73 -0.75 0.42 -1.72 0.00 0.00 179.24 178.49 1hqk s THR 120 N -3.58 1.40 0.24 0.35 -4.23 -1.26 -4.03 115.64 104.53 1hqk s THR 120 Ca -0.02 -1.88 -0.07 0.00 -1.18 0.00 0.00 61.69 58.54 1hqk s THR 120 Cb 0.12 -1.70 0.22 0.00 1.34 0.00 0.00 72.50 72.49 1hqk s THR 120 CO 0.78 -0.50 1.89 0.25 -0.54 0.00 0.00 174.62 176.50 1hqk h LEU 121 N 3.20 0.98 -0.50 4.79 5.85 -1.92 -2.36 115.31 125.35 1hqk h LEU 121 Ca -0.39 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.40 1hqk h LEU 121 Cb 1.20 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 1hqk h LEU 121 CO 0.55 0.68 0.14 -0.08 -0.34 0.00 0.00 178.44 179.39 1hqk h GLU 122 N 1.15 0.29 -0.58 1.25 4.81 -1.99 0.54 114.58 120.04 1hqk h GLU 122 Ca 0.35 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1hqk h GLU 122 Cb -0.02 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1hqk h GLU 122 CO -0.11 0.19 0.35 1.96 -0.73 0.00 0.00 179.01 180.67 1hqk h GLN 123 N 0.30 0.78 -0.28 1.92 4.20 -1.86 -0.58 115.11 119.59 1hqk h GLN 123 Ca 0.25 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.79 1hqk h GLN 123 Cb 0.30 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1hqk h GLN 123 CO -0.29 0.55 -0.22 0.00 -0.67 0.00 0.00 178.83 178.20 1hqk h ALA 124 N 1.59 0.40 -0.58 3.87 0.00 -0.79 -2.64 119.26 121.12 1hqk h ALA 124 Ca 0.21 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1hqk h ALA 124 Cb -0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1hqk h ALA 124 CO -0.04 0.36 0.33 0.82 0.00 0.00 0.00 179.25 180.72 1hqk h ILE 125 N 0.38 1.01 -0.63 0.00 2.04 -0.45 -1.94 117.51 117.91 1hqk h ILE 125 Ca 0.05 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.75 1hqk h ILE 125 Cb 0.77 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1hqk h ILE 125 CO 0.06 0.12 0.42 -0.33 0.00 0.00 0.00 178.15 178.41 1hqk h GLU 126 N 0.63 0.66 -0.17 2.37 5.08 -1.01 -2.55 114.58 119.59 1hqk h GLU 126 Ca 0.25 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1hqk h GLU 126 Cb 0.10 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1hqk h GLU 126 CO -0.14 0.44 0.00 0.54 -1.00 0.00 0.00 179.01 178.85 1hqk n ARG 127 N -4.47 2.05 -2.16 2.33 1.74 -0.78 -0.66 116.66 114.70 1hqk n ARG 127 Ca 0.09 -1.56 -0.29 0.00 -0.77 0.00 0.00 57.85 55.32 1hqk n ARG 127 Cb 0.19 -1.46 0.02 0.00 -1.02 0.00 0.00 32.46 30.20 1hqk n ARG 127 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hqk n ALA 128 N 0.81 5.38 0.00 7.54 0.00 -0.89 -1.46 120.51 131.89 1hqk n ALA 128 Ca 0.17 -4.06 0.00 0.00 0.00 0.00 0.00 53.44 49.55 1hqk n ALA 128 Cb 0.46 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1hqk n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hqk n GLY 129 N -0.60 1.22 0.00 0.00 0.00 0.82 -4.72 105.19 101.91 1hqk n GLY 129 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1hqk n GLY 129 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hqk n THR 130 N -1.73 0.00 0.30 2.61 -2.24 -1.16 -4.93 114.28 107.13 1hqk n THR 130 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1hqk n THR 130 Cb 0.00 0.00 0.35 0.00 -2.10 0.00 0.00 70.33 68.58 1hqk n THR 130 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1hqk h LYS 131 N 0.00 0.00 -0.46 -0.78 2.10 -1.78 -1.23 116.57 114.41 1hqk h LYS 131 Ca 0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.46 1hqk h LYS 131 Cb 0.00 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 31.22 1hqk h LYS 131 CO 0.00 0.00 0.08 0.72 -2.00 0.00 0.00 179.45 178.25 1hqk n HIS 132 N -2.94 1.47 -2.10 0.07 8.25 0.17 -5.05 115.22 115.09 1hqk n HIS 132 Ca 0.03 -1.44 0.00 0.00 -0.26 0.00 0.00 57.72 56.06 1hqk n HIS 132 Cb 0.44 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.02 1hqk n HIS 132 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hqk n GLY 133 N -0.90 -1.35 2.62 -1.41 0.00 -0.47 -4.67 105.19 99.02 1hqk n GLY 133 Ca 0.35 -1.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 1hqk n GLY 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hqk s ASN 134 N -4.00 2.65 0.56 1.61 3.84 -1.25 -0.13 114.94 118.22 1hqk s ASN 134 Ca 0.00 -0.77 0.35 0.00 0.21 0.00 0.00 52.86 52.65 1hqk s ASN 134 Cb 0.00 -0.33 1.57 0.00 -0.55 0.00 0.00 41.25 41.94 1hqk s ASN 134 CO 0.00 -0.36 2.06 0.11 -2.79 0.00 0.00 177.10 176.13 1hqk h LYS 135 N 8.38 0.00 -0.25 0.43 1.79 -1.57 -2.21 116.57 123.14 1hqk h LYS 135 Ca -0.16 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.25 1hqk h LYS 135 Cb 1.12 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.76 1hqk h LYS 135 CO 0.32 0.03 -0.07 0.78 -1.08 0.00 0.00 179.45 179.43 1hqk h GLY 136 N 1.49 0.53 1.00 3.86 0.00 -1.82 -0.67 103.07 107.47 1hqk h GLY 136 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1hqk h GLY 136 CO 0.00 0.41 0.44 -0.25 0.00 0.00 0.00 176.54 177.14 1hqk h TRP 137 N 0.23 0.87 -0.35 5.60 7.01 -1.58 -0.95 115.95 126.78 1hqk h TRP 137 Ca 0.06 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 1hqk h TRP 137 Cb 0.55 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.30 1hqk h TRP 137 CO 0.05 0.56 0.09 0.93 -2.79 0.00 0.00 178.44 177.29 1hqk h GLU 138 N 0.93 0.56 -0.41 2.65 5.08 -1.37 0.06 114.58 122.06 1hqk h GLU 138 Ca 0.25 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1hqk h GLU 138 Cb -0.08 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1hqk h GLU 138 CO -0.05 0.60 0.09 0.00 -1.00 0.00 0.00 179.01 178.64 1hqk h ALA 139 N 0.93 1.38 -0.33 3.43 0.00 -1.01 -1.20 119.26 122.46 1hqk h ALA 139 Ca 0.11 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1hqk h ALA 139 Cb 0.29 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1hqk h ALA 139 CO -0.00 0.44 -0.45 0.00 0.00 0.00 0.00 179.25 179.24 1hqk h ALA 140 N 1.50 0.57 -0.84 0.00 0.00 -0.91 -1.69 119.26 117.88 1hqk h ALA 140 Ca 0.14 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1hqk h ALA 140 Cb 0.25 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1hqk h ALA 140 CO -0.00 0.68 0.49 1.25 0.00 0.00 0.00 179.25 181.67 1hqk h LEU 141 N 0.70 1.03 -0.89 0.00 5.85 -0.45 0.21 115.31 121.75 1hqk h LEU 141 Ca 0.04 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1hqk h LEU 141 Cb 1.04 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1hqk h LEU 141 CO 0.10 0.80 0.37 0.28 -0.34 0.00 0.00 178.44 179.65 1hqk h SER 142 N 1.17 1.07 -0.60 1.25 0.02 -1.07 -2.09 113.55 113.30 1hqk h SER 142 Ca 0.30 -0.14 -0.10 0.00 -0.84 0.00 0.00 61.79 61.02 1hqk h SER 142 Cb -0.02 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 1hqk h SER 142 CO -0.05 0.91 -0.02 0.00 -1.14 0.00 0.00 176.83 176.53 1hqk h ALA 143 N 1.25 0.81 -0.06 3.77 0.00 -0.74 -0.99 119.26 123.29 1hqk h ALA 143 Ca 0.28 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1hqk h ALA 143 Cb 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1hqk h ALA 143 CO -0.03 0.66 -0.00 0.82 0.00 0.00 0.00 179.25 180.70 1hqk h ILE 144 N 0.97 0.95 0.02 0.00 2.04 -0.71 -0.11 117.51 120.66 1hqk h ILE 144 Ca 0.17 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 66.04 1hqk h ILE 144 Cb 0.58 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1hqk h ILE 144 CO 0.03 0.00 -0.11 -0.08 0.00 0.00 0.00 178.15 178.00 1hqk h GLU 145 N 0.02 -0.19 -0.47 2.37 4.81 -1.23 -1.11 114.58 118.78 1hqk h GLU 145 Ca 0.03 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1hqk h GLU 145 Cb 0.03 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1hqk h GLU 145 CO -0.05 -0.13 0.09 0.52 -0.73 0.00 0.00 179.01 178.71 1hqk h MET 146 N -0.20 0.77 -0.66 1.92 2.86 -1.10 0.18 114.93 118.70 1hqk h MET 146 Ca 0.04 -0.20 0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1hqk h MET 146 Cb 0.24 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 1hqk h MET 146 CO -0.10 0.77 0.40 0.00 1.06 0.00 0.00 176.91 179.04 1hqk h ALA 147 N 0.96 0.86 -0.65 6.32 0.00 -0.83 0.51 119.26 126.44 1hqk h ALA 147 Ca 0.14 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1hqk h ALA 147 Cb 0.37 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1hqk h ALA 147 CO 0.01 0.15 0.12 -0.91 0.00 0.00 0.00 179.25 178.61 1hqk h ASN 148 N 0.78 1.02 -0.53 0.00 -0.26 -0.96 -2.50 115.58 113.13 1hqk h ASN 148 Ca 0.27 -0.25 0.02 0.00 -0.56 0.00 0.00 56.30 55.77 1hqk h ASN 148 Cb 0.05 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.00 1hqk h ASN 148 CO -0.12 1.01 0.33 0.25 -1.06 0.00 0.00 177.43 177.84 1hqk h LEU 149 N 0.98 0.55 -1.66 1.61 5.85 -0.64 -2.58 115.31 119.41 1hqk h LEU 149 Ca 0.20 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1hqk h LEU 149 Cb 0.42 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1hqk h LEU 149 CO 0.01 0.39 -0.06 -0.26 -0.34 0.00 0.00 178.44 178.18 1hqk h PHE 150 N 0.66 0.00 -0.23 1.25 -1.00 -0.66 0.22 116.94 117.18 1hqk h PHE 150 Ca 0.21 0.00 0.07 0.00 2.81 0.00 0.00 57.97 61.05 1hqk h PHE 150 Cb -0.02 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 1hqk h PHE 150 CO -0.05 0.06 0.17 0.87 -1.61 0.00 0.00 178.31 177.74 1hqk h LYS 151 N 0.00 0.00 0.00 1.51 1.57 -1.03 -1.74 116.57 116.88 1hqk h LYS 151 Ca -0.00 -0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1hqk h LYS 151 Cb 0.47 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 1hqk h LYS 151 CO 0.01 0.00 -2.11 -1.13 -0.57 0.00 0.00 179.45 175.65 1hqk n SER 152 N -4.47 0.77 0.08 0.86 3.41 -0.80 -4.72 113.62 108.75 1hqk n SER 152 Ca 0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.52 1hqk n SER 152 Cb 0.32 1.12 -0.13 0.00 -0.26 0.00 0.00 64.21 65.25 1hqk n SER 152 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1hqk h LEU 153 N 0.00 0.23 -0.39 1.04 5.85 -0.91 -3.53 115.31 117.60 1hqk h LEU 153 Ca -0.37 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.11 1hqk h LEU 153 Cb 1.80 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.76 1hqk h LEU 153 CO 0.02 1.19 0.00 -1.14 -0.34 0.00 0.00 178.44 178.17